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Updated: Jun 1, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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Distinguishing homogeneous from heterogeneous catalysis in electrode-driven water oxidation with molecular iridium

Nathan D Schley1, James D Blakemore, Navaneetha K Subbaiyan

  • 1Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107, USA.

Journal of the American Chemical Society
|June 16, 2011
PubMed

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